Geometry & MOs

Info

ID:	29614
PubChem CID:	835799
Reduced:	N2F3O4H7C15 (1)
Stoich.:	A2B3C4D7E15 (1)
Weight, g/mol:	317.04153
ΔH_f, kcal/mol:	-177.11
Dipole, Da:	1.0
IP(EA), eV:	-9.86(-2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-bromophenyl)-2-phenylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations